4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide

C18H28N4O2 — CID 84596127

IUPAC4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide
SMILESCC(CN1CCOCC1)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(14-20-10-12-24-13-11-20)21-6-8-22(9-7-21)17-4-2-16(3-5-17)18(19)23/h2-5,15H,6-14H2,1H3,(H2,19,23)
InChIKeyVPYQAOXXFZTLCI-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.63
Rot. Bonds5

About 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide

4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide (PubChem CID 84596127) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide
PubChem CID84596127
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide
SMILESCC(CN1CCOCC1)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(14-20-10-12-24-13-11-20)21-6-8-22(9-7-21)17-4-2-16(3-5-17)18(19)23/h2-5,15H,6-14H2,1H3,(H2,19,23)
InChIKeyVPYQAOXXFZTLCI-UHFFFAOYSA-N
XLogP0.63
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide (CID 84596127) is 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide is CC(CN1CCOCC1)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide?
The InChIKey is VPYQAOXXFZTLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(14-20-10-12-24-13-11-20)21-6-8-22(9-7-21)17-4-2-16(3-5-17)18(19)23/h2-5,15H,6-14H2,1H3,(H2,19,23).
What are the key properties of 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide?
4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide has a molecular weight of 332.45 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide is sourced from PubChem (CID 84596127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).